SCHEMBL31465207

SCHEMBL31465207

COc1cc(O)c2c(=O)oc3c(O)c(O)cc(C)c3c2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.66
POLK Q9UBT6 1/20 0.48
MEN1 O00255 2/20 0.48
THRB P10828 2/20 0.48
APEX1 P27695 2/20 0.48
RECQL P46063 2/20 0.48
BLM P54132 2/20 0.48
KMT2A Q03164 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
SLC22A2 O15244 1/20 0.48
SLC22A1 O15245 1/20 0.48
EED O75530 1/20 0.48
ALOX5 P09917 1/20 0.48
G6PD P11413 1/20 0.48
CBR1 P16152 1/20 0.48
CLK2 P49760 1/20 0.48
GAA P10253 2/20 0.46
KDM4E B2RXH2 1/20 0.46
PLK4 O00444 1/20 0.46
IKBKB O14920 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30321458 0.90 MAOA (0.63) MAOAPOLKMEN1THRBAPEX1
SCHEMBL28899964 0.86 CLK2 (0.64) MAOAMEN1THRBAPEX1RECQL
SCHEMBL30321459 0.83 MAOA (0.62) MAOAPOLKMEN1THRBAPEX1
SCHEMBL30321452 0.81 CA12 (0.52) MAOAMEN1KMT2ATDP1GAA
SCHEMBL28798388 0.80 MAOA (1.00) MAOAPOLKMEN1THRBAPEX1
SCHEMBL29377175 0.80 MAOA (1.00) MAOAPOLKMEN1THRBAPEX1
SCHEMBL27426246 0.80 MAOA (0.67) MAOAMEN1THRBAPEX1RECQL
Verrulactone A SCHEMBL29929581 0.77 MAOA (0.67) MAOAPOLKMEN1THRBAPEX1
SCHEMBL30321442 0.76 MAOA (0.50) MAOAPOLKMEN1THRBAPEX1
SCHEMBL8638209 0.76 MAOA (0.50) MAOAPOLKMEN1THRBAPEX1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119661361-A Preparation method of polyketides and application of polyketides in anti-inflammatory aspect 烟台新药创制山东省实验室 2025-03-21 CN disclosed